REMARK Name = BDB063470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.168 -1.568 0.256 0.00 0.00 +0.028 C ATOM 2 C LIG 1 1.110 -1.882 -0.578 0.00 0.00 +0.041 C ATOM 3 C LIG 1 2.369 -1.306 0.067 0.00 0.00 +0.109 C ATOM 4 N LIG 1 2.289 0.155 0.052 0.00 0.00 -0.309 N ATOM 5 C LIG 1 0.974 0.771 0.175 0.00 0.00 +0.109 C ATOM 6 C LIG 1 0.007 -0.160 0.913 0.00 0.00 +0.041 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.443 0.877 -0.065 0.00 0.00 +0.163 A ATOM 8 S LIG 1 3.475 2.603 -0.280 0.00 0.00 -0.033 S ATOM 9 C LIG 1 5.171 2.575 -0.326 0.00 0.00 +0.130 A ATOM 10 C LIG 1 5.627 1.274 -0.183 0.00 0.00 +0.099 A ATOM 11 C LIG 1 7.016 1.077 -0.200 0.00 0.00 +0.032 A ATOM 12 C LIG 1 7.833 2.198 -0.358 0.00 0.00 +0.034 A ATOM 13 C LIG 1 7.258 3.468 -0.498 0.00 0.00 +0.145 A ATOM 14 N LIG 1 5.914 3.691 -0.481 0.00 0.00 -0.234 NA ATOM 15 N LIG 1 4.640 0.322 -0.042 0.00 0.00 -0.223 NA BRANCH 13 16 ATOM 16 C LIG 1 8.194 4.664 -0.653 0.00 0.00 +0.434 C ATOM 17 F LIG 1 7.575 5.818 -1.029 0.00 0.00 -0.164 F ATOM 18 F LIG 1 8.860 4.954 0.502 0.00 0.00 -0.164 F ATOM 19 F LIG 1 9.167 4.446 -1.587 0.00 0.00 -0.164 F ENDBRANCH 13 16 ENDBRANCH 4 7 BRANCH 1 20 ATOM 20 N LIG 1 -0.293 -2.579 1.353 0.00 0.00 -0.296 NA ATOM 21 C LIG 1 -0.531 -3.973 0.968 0.00 0.00 +0.085 C ATOM 22 C LIG 1 -0.722 -4.647 2.314 0.00 0.00 +0.017 C ATOM 23 C LIG 1 -1.493 -3.624 3.128 0.00 0.00 +0.017 C ATOM 24 C LIG 1 -1.270 -2.294 2.414 0.00 0.00 +0.085 C ENDBRANCH 1 20 BRANCH 1 25 ATOM 25 C LIG 1 -1.419 -1.621 -0.684 0.00 0.00 +0.063 C BRANCH 25 26 ATOM 26 C LIG 1 -1.567 -0.491 -1.709 0.00 0.00 +0.231 C BRANCH 26 27 ATOM 27 O LIG 1 -2.724 -0.717 -2.522 0.00 0.00 -0.492 OA BRANCH 27 30 ATOM 28 C LIG 1 -5.459 0.995 -0.656 0.00 0.00 -0.032 A ATOM 29 C LIG 1 -4.191 0.446 -0.918 0.00 0.00 +0.050 A ATOM 30 C LIG 1 -3.910 -0.146 -2.152 0.00 0.00 +0.122 A ATOM 31 C LIG 1 -4.909 -0.203 -3.126 0.00 0.00 +0.065 A ATOM 32 C LIG 1 -6.164 0.346 -2.877 0.00 0.00 +0.045 A ATOM 33 CL LIG 1 -7.381 0.282 -4.092 0.00 0.00 -0.083 Cl ATOM 34 C LIG 1 -6.442 0.950 -1.652 0.00 0.00 +0.024 A BRANCH 28 35 ATOM 35 C LIG 1 -5.743 1.651 0.671 0.00 0.00 +0.155 C BRANCH 35 37 ATOM 36 O LIG 1 -6.040 4.058 0.450 0.00 0.00 -0.251 OA ATOM 37 C LIG 1 -5.331 3.098 0.703 0.00 0.00 +0.309 C BRANCH 37 38 ATOM 38 O LIG 1 -4.033 3.271 1.030 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -3.910 4.243 0.982 0.00 0.00 +0.295 HD ENDBRANCH 37 38 ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 10